COMPND    HMDB0247574
HETATM    1 CL1  UNL     1      -0.228  -3.328  -1.264  1.00  0.00          CL  
HETATM    2  C1  UNL     1      -0.346  -2.462   0.309  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.188  -1.009   0.141  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.097  -0.483  -0.039  1.00  0.00           C  
HETATM    5  C4  UNL     1       2.194  -1.322  -0.099  1.00  0.00           C  
HETATM    6  C5  UNL     1       3.495  -0.881  -0.286  1.00  0.00           C  
HETATM    7  C6  UNL     1       3.699   0.470  -0.419  1.00  0.00           C  
HETATM    8  C7  UNL     1       2.629   1.358  -0.367  1.00  0.00           C  
HETATM    9  C8  UNL     1       1.337   0.876  -0.178  1.00  0.00           C  
HETATM   10  C9  UNL     1       0.278   1.747  -0.141  1.00  0.00           C  
HETATM   11  C10 UNL     1      -1.018   1.242   0.034  1.00  0.00           C  
HETATM   12  C11 UNL     1      -2.088   2.093   0.058  1.00  0.00           C  
HETATM   13  C12 UNL     1      -3.378   1.659   0.213  1.00  0.00           C  
HETATM   14  C13 UNL     1      -3.599   0.319   0.349  1.00  0.00           C  
HETATM   15  C14 UNL     1      -2.533  -0.588   0.331  1.00  0.00           C  
HETATM   16  C15 UNL     1      -1.249  -0.120   0.174  1.00  0.00           C  
HETATM   17  H1  UNL     1      -1.311  -2.678   0.780  1.00  0.00           H  
HETATM   18  H2  UNL     1       0.489  -2.906   0.928  1.00  0.00           H  
HETATM   19  H3  UNL     1       2.031  -2.379  -0.007  1.00  0.00           H  
HETATM   20  H4  UNL     1       4.282  -1.612  -0.316  1.00  0.00           H  
HETATM   21  H5  UNL     1       4.687   0.872  -0.566  1.00  0.00           H  
HETATM   22  H6  UNL     1       2.751   2.426  -0.470  1.00  0.00           H  
HETATM   23  H7  UNL     1       0.386   2.804  -0.239  1.00  0.00           H  
HETATM   24  H8  UNL     1      -1.869   3.176  -0.056  1.00  0.00           H  
HETATM   25  H9  UNL     1      -4.196   2.390   0.225  1.00  0.00           H  
HETATM   26  H10 UNL     1      -4.604  -0.037   0.473  1.00  0.00           H  
HETATM   27  H11 UNL     1      -2.747  -1.626   0.434  1.00  0.00           H  
CONECT    1    2
CONECT    2    3   17   18
CONECT    3    4    4   16
CONECT    4    5    9
CONECT    5    6    6   19
CONECT    6    7   20
CONECT    7    8    8   21
CONECT    8    9   22
CONECT    9   10   10
CONECT   10   11   23
CONECT   11   12   12   16
CONECT   12   13   24
CONECT   13   14   14   25
CONECT   14   15   26
CONECT   15   16   16   27
END